COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585078
Chemical Name: 8-[(4-benzylpiperazin-1-yl)amino]-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OC(Cn1c(NN2CCN(CC2)Cc2ccccc2)nc2c1c(O)nc(=O)n2C)COc1ccc(cc1)C

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Molecular Weight: 519.6
Empirical Formula: C27H33N7O4

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.912
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 118
Number of rings: 5

     

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